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THESIS REPORT(PAWAR).pdf (4.76 MB)

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Ab Initio Modeling of an Electron Transport Layer Interface in Hybrid Perovskite Solar Cells

Pawar, Krantikumar Subhash
http://rave.ohiolink.edu/etdc/view?acc_num=wright1610125331928229

Abstract Details

2020, Master of Science in Materials Science and Engineering (MSMSE), Wright State University, Materials Science and Engineering.
Hybrid organic-inorganic perovskite solar cell is an emerging technology which has shown the fastest advancement in power conversion efficiency within a few years since introduction, thus making it one of the clean energy breakthroughs. These cells are based on thin-film technology which makes them suitable to manufacture using low-cost solution processing methods. As these types of cells are easily tunable with the selection of different materials, interfacial engineering is an important approach to increasing their efficiency. One of the main hurdles in this regard is the loss caused by the recombination of separated charges. An approach to tackle these issues is to incorporate organic monolayers between the charge (electron/hole) transport layers and the perovskite active layer. Such interface engineering has experimentally shown to improve the overall efficiency and stability of the cell. The current research focuses on the study of TiO2/HOOC-Ph-SH interface in order to understand the improved efficiency. Using ab initio quantum mechanical approach, we investigate the monolayer (HOOC-Ph-SH) adsorption onto the TiO2 surface to determine structural and electronic properties of the interface and discuss the connection of the results to solar cell performance.
Amit A. Farajian, Ph.D. (Advisor)
Raghavan Srinivasan, Ph.D., P.E. (Committee Member)
James A. Menart, Ph.D. (Committee Member)
86 p.
Chemistry; Materials Science; Physics; Quantum Physics
Perovskite; Hybrid perovskite solar cells; ETL; ab initio modeling of hybrid perovskite; Monolayer; 4-mercaptobenzoiac acid; Titanium dioxide interface; VASP; DFT; HOOC-Ph-SH; Density of state; CH3NH3PbI3; TiO2-HOOC-Ph-SH; charge density;

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Citations

  • Pawar, K. S. (2020). Ab Initio Modeling of an Electron Transport Layer Interface in Hybrid Perovskite Solar Cells [Master's thesis, Wright State University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=wright1610125331928229

    APA Style (7th edition)

  • Pawar, Krantikumar . Ab Initio Modeling of an Electron Transport Layer Interface in Hybrid Perovskite Solar Cells. 2020. Wright State University, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=wright1610125331928229.

    MLA Style (8th edition)

  • Pawar, Krantikumar . "Ab Initio Modeling of an Electron Transport Layer Interface in Hybrid Perovskite Solar Cells." Master's thesis, Wright State University, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=wright1610125331928229

    Chicago Manual of Style (17th edition)

wright1610125331928229
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© 2020, all rights reserved.
This open access ETD is published by Wright State University and OhioLINK.